General Information of the Compound
| Compound ID |
CP0382379
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| Compound Name |
5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(4-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C20H16ClF2N3O4S
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| Molecular Weight |
467.881
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| Canonical SMILES |
Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
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| InChI |
InChI=1S/C20H16ClF2N3O4S/c1-12-2-4-13(5-3-12)11-31(28,29)20-24-10-16(21)17(26-20)18(27)25-14-6-8-15(9-7-14)30-19(22)23/h2-10,19H,11H2,1H3,(H,25,27)
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| InChIKey |
SJKHUHJFGMZWKX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3